SCHEMBL882883

SCHEMBL882883

CNC(CCC(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
FOLH1 Q04609 9/20 0.40
NAALAD2 Q9Y3Q0 4/20 0.39
BLM P54132 2/20 0.39
MAPT P10636 2/20 0.38
ACE P12821 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.36
RIMKLA Q8IXN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29657364 1.00 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL21635774 1.00 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL21192393 0.82 GABRP (0.46) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL27044686 0.81 FOLH1 (0.40) ALDH1A1FOLH1NAALAD2BLMMAPT
SCHEMBL21515900 0.81 KISS1R (0.38) ALDH1A1SLC1A3SLC1A2SLC1A1BLM
SCHEMBL8301910 0.81 KISS1R (0.38) ALDH1A1SLC1A3SLC1A2SLC1A1BLM
SCHEMBL30869983 0.81 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL27995355 0.80 ACE2 (0.37) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL24633728 0.79 FOLH1 (0.34) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL21982815 0.79 CA1 (0.34) SLC1A3SLC1A2SLC1A1CYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076902-A1 INHIBITING HUMAN INTEGRIN α 4 β 7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
CN-112321677-A Nannocystin A analogue and preparation method and application thereof 北京大学深圳研究生院 2021-02-05 CN disclosed
CN-105636975-B Anti-inflammatory tripeptides 奥古斯特沃尔夫博士有限两合公司-医药 2019-06-25 CN disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
EP-0793660-A4 2-SUBSTITUTED 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1999-06-30 EP disclosed
EP-0792150-A4 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-03-11 EP disclosed
EP-0794956-A4 SUBSTITUTED 2-(PHOSPHINYLOXYMETHYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-02-11 EP disclosed
EP-0793494-A4 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0794956-A1 SUBSTITUTED 2-(PHOSPHINYLOXYMETHYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-17 EP disclosed
EP-0793494-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-10 EP disclosed
EP-0793660-A1 2-SUBSTITUTED 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-10 EP disclosed
EP-0792150-A1 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-03 EP disclosed
WO-1996016654-A1 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed
WO-1996016649-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed